3-[[4-azanyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]amino]-5-bromanyl-indol-2-one

Systemtic Name: 3-[[4-azanyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]amino]-5-bromanyl-indol-2-one Openeye Name: 3-[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]amino]-5-bromo-indol-2-one CAS Name: 3-[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-2-pyrimidinyl]amino]-5-bromo-2-indolone IUPAC Name: 3-[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]amino]-5-bromoindol-2-one Traditional Name: 3-[[4-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-2-yl]amino]-5-bromo-indol-2-one Formula: C22H20BrN5O4 MolecularWeight: 498.3293

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)NC3=C4C=C(C=CC4=NC3=O)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)NC3=C4C=C(C=CC4=NC3=O)Br

InChI

InChI=1S/C22H20BrN5O4/c1-30-16-7-11(8-17(31-2)19(16)32-3)6-12-10-25-22(28-20(12)24)27-18-14-9-13(23)4-5-15(14)26-21(18)29/h4-5,7-10H,6H2,1-3H3,(H3,24,25,26,27,28,29)